Molecular relaxation and excess entropy in liquids and their connection to the structure of glass

1995 ◽  
Vol 102 (20) ◽  
pp. 8213-8220 ◽  
Author(s):  
S. S. N. Murthy ◽  
A. Paikaray ◽  
N. Arya
Keyword(s):  
Excess Entropy ◽  
Molecular Relaxation

Excess entropy of the systems of molecules differing in size and shape

1983 ◽  
Vol 48 (1) ◽  
pp. 192-198 ◽  
Author(s):  
Tomáš Boublík
Keyword(s):  
Equation Of State ◽  
Hard Spheres ◽  
Excess Entropy ◽  
Convex Bodies ◽  
Pure Substance ◽  
Liquid Equilibrium ◽  
Simple Rules ◽  
Different Shapes ◽  
The Mean

The excess entropy of mixing of mixtures of hard spheres and spherocylinders is determined from an equation of state of hard convex bodies. The obtained dependence of excess entropy on composition was used to find the accuracy of determining ΔSE from relations employed for the correlation and prediction of vapour-liquid equilibrium. Simple rules were proposed for establishing the mean parameter of nonsphericity for mixtures of hard bodies of different shapes allowing to describe the P-V-T behaviour of solutions in terms of the equation of state fo pure substance. The determination of ΔSE by means of these rules is discussed.

Activities of Components in the Ca2MgSi2O7-CaSiO3Molten System

1996 ◽  
Vol 61 (6) ◽  
pp. 837-843
Author(s):  
Ladislav Kosa ◽  
Ivan Nerád ◽  
Katarína Adamkovičová ◽  
Jozef Strečko ◽  
Ivo Proks
Keyword(s):  
Gibbs Energy ◽  
Molar Mass ◽  
Excess Entropy ◽  
Enthalpy Of Mixing ◽  
Real Particle ◽  
Entropy Of Mixing ◽  
Energy Of Mixing ◽  
Gibbs Energy Of Mixing

Activities of the components, the Gibbs energy of mixing, and the excess entropy of mixing have been calculated for the Ca2MgSi2O7-CaSiO3 system. The mole fractions of the components were calculated assuming that in the point of the formal component Ca2MgSi2O7, the molar mass of the quasi-real particle in the melt corresponds to its formula molar mass, whereas in the point of the formal component CaSiO3 the molar mass of the quasi-real particle in the melt is 8.5 times higher than as corresponds to its formula. The fact that the enthalpy of mixing is zero whereas the excess entropy of mixing is non-zero suggests that Ca2MgSi2O7-CaSiO3 melts behave as athermal solutions.

An origin of excess vibrational entropies at grain boundaries in Al, Si and MgO: a first-principles analysis with lattice dynamics

2021 ◽  
Author(s):  
T. Yokoi ◽  
K. Ikawa ◽  
A. Nakamura ◽  
K. Matsunaga
Keyword(s):  
Bond Length ◽  
Grain Boundaries ◽  
First Principles ◽  
Lattice Dynamics ◽  
Excess Entropy ◽  
First Principle ◽  
Length Changes

Excess vibrational entropies are examined by performing first-principle lattice dynamics for grain boundaries in MgO, Al and Si. Bond-length changes are critical for excess entropy, although their bonding nature is originally very different.

Studies of molecular relaxation by infrared and microwave coherent transients

1980 ◽  
Vol 21 (1) ◽  
pp. 29-34 ◽  
Author(s):  
T. Shimizu ◽  
N. Morita ◽  
T. Kasuga ◽  
H. Sasada ◽  
F. Matsushima ◽  
...  
Keyword(s):  
Molecular Relaxation

Infrared dichroism measurements of molecular relaxation in binary blend melt rheology

1989 ◽  
Vol 22 (3) ◽  
pp. 1334-1345 ◽  
Author(s):  
Julia A. Kornfield ◽  
Gerald G. Fuller ◽  
Dale S. Pearson
Keyword(s):  
Melt Rheology ◽  
Molecular Relaxation ◽  
Binary Blend ◽  
Infrared Dichroism

Molecular relaxation in anisotropic composites based on (hydroxypropyl)cellulose and acrylic polymer

Polymer ◽  
2001 ◽  
Vol 42 (8) ◽  
pp. 3817-3825 ◽  
Author(s):  
L Okrasa ◽  
G Boiteux ◽  
J Ulanski ◽  
G Seytre
Keyword(s):  
Hydroxypropyl Cellulose ◽  
Molecular Relaxation ◽  
Acrylic Polymer

Excess entropy scaling of transport properties of Lennard-Jones chains

2008 ◽  
Vol 129 (16) ◽  
pp. 164904 ◽  
Author(s):  
Teena Goel ◽  
Chandra Nath Patra ◽  
Tulsi Mukherjee ◽  
Charusita Chakravarty
Keyword(s):  
Transport Properties ◽  
Excess Entropy ◽  
Lennard Jones

scholarly journals Fingerprinting Molecular Relaxation in Deformed Polymers

2017 ◽  
Vol 7 (3) ◽  
Author(s):  
Zhe Wang ◽  
Christopher N. Lam ◽  
Wei-Ren Chen ◽  
Weiyu Wang ◽  
Jianning Liu ◽  
...  
Keyword(s):  
Molecular Relaxation

The Thermodynamics Calculation of Mg-Zn Alloy

2007 ◽  
Vol 546-549 ◽  
pp. 447-450
Author(s):  
Tian Mo Liu ◽  
Hong Yi Zhou ◽  
Fu Sheng Pan
Keyword(s):  
Excess Entropy ◽  
Formation Enthalpy ◽  
Miedema Model ◽  
Activity Curve ◽  
Calculation Results ◽  
Experimental Values ◽  
Zn Alloy ◽  
Zn Alloys ◽  
Good Agreement

In the present work Miedema model has been developed, and the formation enthalpy of Mg-Zn alloys and the activity curve of Zn in Mg-Zn alloy at 1000K have been calculated according to the Miedema model. The calculation results showed that the formation enthalpy of Mg-Zn was small, and the excess entropy attributes a lot to the result. When excess enthopy was considered, the calculation results were found to be in good agreement with the experimental values.

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